Structure Database (LMSD)
Common Name
Laurifolin (flavonoid)
Systematic Name
Synonyms
3D model of Laurifolin (flavonoid)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
ASCNCUCRYYUACO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O6/c1-20(2)17(24)7-12-16(26-20)9-14(23)18-13(22)8-15(25-19(12)18)10-3-5-11(21)6-4-10/h3-6,9,15,17,21,23-24H,7-8H2,1-2H3
SMILES (Click to copy)
C12OC(C)(C)C(O)CC=1C1OC(C3C=CC(O)=CC=3)CC(=O)C=1C(O)=C2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
4
Aromatic Rings
2
Rotatable Bonds
1
Van der Waals Molecular Volume
317.58
Topological Polar Surface Area
100.36
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
3.45
Molar Refractivity
93.97
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Updated at
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